Geometry & MOs

Info

ID:	152054
PubChem CID:	56310905
Reduced:	FON3C23H26 (1)
Stoich.:	ABC3D23E26 (1)
Weight, g/mol:	395.200905
ΔH_f, kcal/mol:	-7.89
Dipole, Da:	0.65
IP(EA), eV:	-8.73(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CC=C2)CN3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations